tert-butyl 3-[[(1S)-1-pyridin-4-ylethyl]amino]azetidine-1-carboxylate

C15H23N3O2 — CID 81405804

IUPACtert-butyl 3-[[(1S)-1-pyridin-4-ylethyl]amino]azetidine-1-carboxylate
SMILESC[C@H](NC1CN(C(=O)OC(C)(C)C)C1)c1ccncc1
InChIInChI=1S/C15H23N3O2/c1-11(12-5-7-16-8-6-12)17-13-9-18(10-13)14(19)20-15(2,3)4/h5-8,11,13,17H,9-10H2,1-4H3/t11-/m0/s1
InChIKeyDYONPYJRWFTZFW-NSHDSACASA-N
MW277.37 g/mol
LogP2.35
Rot. Bonds3

About tert-butyl 3-[[(1S)-1-pyridin-4-ylethyl]amino]azetidine-1-carboxylate

tert-butyl 3-[[(1S)-1-pyridin-4-ylethyl]amino]azetidine-1-carboxylate (PubChem CID 81405804) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is tert-butyl 3-[[(1S)-1-pyridin-4-ylethyl]amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(1S)-1-pyridin-4-ylethyl]amino]azetidine-1-carboxylate
PubChem CID81405804
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nametert-butyl 3-[[(1S)-1-pyridin-4-ylethyl]amino]azetidine-1-carboxylate
SMILESC[C@H](NC1CN(C(=O)OC(C)(C)C)C1)c1ccncc1
InChIInChI=1S/C15H23N3O2/c1-11(12-5-7-16-8-6-12)17-13-9-18(10-13)14(19)20-15(2,3)4/h5-8,11,13,17H,9-10H2,1-4H3/t11-/m0/s1
InChIKeyDYONPYJRWFTZFW-NSHDSACASA-N
XLogP2.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[1-(4-propan-2-yloxyphenyl)ethylamino]azetidine-1-carboxylate
CID 113231793
tert-butyl (3R)-3-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]pyrrolidine-1-carboxylate
CID 96516600
tert-butyl 3-[1-(5-fluoro-3-pyridinyl)ethylamino]azetidine-1-carboxylate
CID 103788166
tert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate
CID 81403373
tert-butyl 3-[1-(4-bromophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 103711104
tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate
CID 174899378
tert-butyl 3-[1-(2-fluorophenyl)ethylamino]azetidine-1-carboxylate
CID 63302812
tert-butyl 3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]azetidine-1-carboxylate
CID 97103228
tert-butyl 3-[(2-methyl-1-thiophen-2-ylpropyl)amino]azetidine-1-carboxylate
CID 63302805
1-[4-(1-pyridin-4-ylethylamino)piperidin-1-yl]ethanone
CID 43223802
tert-butyl 4-[1-(furan-3-yl)ethylamino]piperidine-1-carboxylate
CID 103778464
tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate
CID 66630666

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(1S)-1-pyridin-4-ylethyl]amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[(1S)-1-pyridin-4-ylethyl]amino]azetidine-1-carboxylate (CID 81405804) is tert-butyl 3-[[(1S)-1-pyridin-4-ylethyl]amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(1S)-1-pyridin-4-ylethyl]amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[(1S)-1-pyridin-4-ylethyl]amino]azetidine-1-carboxylate is C[C@H](NC1CN(C(=O)OC(C)(C)C)C1)c1ccncc1.
What is the InChIKey of tert-butyl 3-[[(1S)-1-pyridin-4-ylethyl]amino]azetidine-1-carboxylate?
The InChIKey is DYONPYJRWFTZFW-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(12-5-7-16-8-6-12)17-13-9-18(10-13)14(19)20-15(2,3)4/h5-8,11,13,17H,9-10H2,1-4H3/t11-/m0/s1.
What are the key properties of tert-butyl 3-[[(1S)-1-pyridin-4-ylethyl]amino]azetidine-1-carboxylate?
tert-butyl 3-[[(1S)-1-pyridin-4-ylethyl]amino]azetidine-1-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(1S)-1-pyridin-4-ylethyl]amino]azetidine-1-carboxylate is sourced from PubChem (CID 81405804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).